Author results

1H5Z
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CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN FERRIC LOW-SPIN STATE
Descriptor:CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, FE (II) ION
Authors:Podust, L.M., Arase, M., Waterman, M.R.
Deposit date:2001-05-31
Release date:2003-10-03
Last modified:2015-08-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Estriol Bound and Ligand-Free Structures of Sterol 14Alpha-Demethylase.
Structure, 12, 2004
1CJE
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ADRENODOXIN FROM BOVINE
Descriptor:ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER
Authors:Pikuleva, I.A., Tesh, K., Waterman, M.R., Kim, Y.
Deposit date:1999-04-12
Release date:2000-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The tertiary structure of full-length bovine adrenodoxin suggests functional dimers.
Arch.Biochem.Biophys., 373, 2000
2D09
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A ROLE FOR ACTIVE SITE WATER MOLECULES AND HYDROXYL GROUPS OF SUBSTRATE FOR OXYGEN ACTIVATION IN CYTOCHROME P450 158A2
Descriptor:putative cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, FLAVIOLIN, ...
Authors:Zhao, B., Waterman, M.R.
Deposit date:2005-07-30
Release date:2005-10-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
1E9X
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CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 4-PHENYLIMIDAZOLE
Descriptor:CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE, 4-PHENYL-1H-IMIDAZOLE
Authors:Podust, L.M., Poulos, T.L., Waterman, M.R.
Deposit date:2000-10-30
Release date:2000-11-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
1EA1
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CYTOCHROME P450 14 ALPHA-STEROL DEMETHYLASE (CYP51) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH FLUCONAZOLE
Descriptor:CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Podust, L.M., Poulos, T.L., Waterman, M.R.
Deposit date:2000-11-02
Release date:2000-11-06
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
1GWI
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THE 1.92 A STRUCTURE OF STREPTOMYCES COELICOLOR A3(2) CYP154C1: A NEW MONOOXYGENASE THAT FUNCTIONALIZES MACROLIDE RING SYSTEMS
Descriptor:CYTOCHROME P450 154C1, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M., Kim, Y., Arase, M., Neely, B.A., Beck, B.J., Bach, H., Sherman, D.H., Lamb, D.C., Kelly, S.L., Waterman, M.R.
Deposit date:2002-03-15
Release date:2003-01-29
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The 1.92 A Structure of Streptomyces Coelicolor A3(2) Cyp154C1: A New Monooxygenase that Functionalizes Macrolide Ring Systems
J.Biol.Chem., 278, 2003
1ODO
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1.85 A STRUCTURE OF CYP154A1 FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:PUTATIVE CYTOCHROME P450 154A1, PROTOPORPHYRIN IX CONTAINING FE, 4-PHENYL-1H-IMIDAZOLE
Authors:Podust, L.M., Kim, Y., Arase, M., Bach, H., Sherman, D.H., Lamb, D.C., Kelly, S.L., Waterman, M.R.
Deposit date:2003-02-19
Release date:2004-01-02
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comparison of the 1.85 A Structure of Cyp154A1 from Streptomyces Coelicolor A3(2) with the Closely Related Cyp154C1 and Cyps from Antibiotic Biosynthetic Pathways.
Protein Sci., 13, 2004
1S1F
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CRYSTAL STRUCTURE OF STREPTOMYCES COELICOLOR A3(2) CYP158A2 FROM ANTIBIOTIC BIOSYNTHETIC PATHWAYS
Descriptor:putative cytochrome P450, MERCURY (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, B., Lamb, D.C., Lei, L., Sundaramoorthy, M., Podust, L.M., Waterman, M.R.
Deposit date:2004-01-06
Release date:2005-01-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
1SE6
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CRYSTAL STRUCTURE OF STREPTOMYCES COELICOLOR A3(2) CYP158A2 FROM ANTIBIOTIC BIOSYNTHETIC PATHWAYS
Descriptor:putative cytochrome P450, SPERMINE (FULLY PROTONATED FORM), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhao, B., Lamb, D.C., Lei, L., Sundaramoorthy, M., Podust, L.M., Waterman, M.R.
Deposit date:2004-02-16
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1T93
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EVIDENCE FOR MULTIPLE SUBSTRATE RECOGNITION AND MOLECULAR MECHANISM OF C-C REACTION BY CYTOCHROME P450 CYP158A2 FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:putative cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, FLAVIOLIN
Authors:Zhao, B., Sundaramoorthy, M., Waterman, M.R.
Deposit date:2004-05-14
Release date:2005-01-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1U13
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CRYSTAL STRUCTURE ANALYSIS OF THE C37L/C151T/C442A-TRIPLE MUTANT OF CYP51 FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M., Yermalitskaya, L.V., Kim, Y., Waterman, M.R.
Deposit date:2004-07-14
Release date:2004-07-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure analysis of the C37L/C151T/C442A-triple mutant of CYP51 from Mycobacterium tuberculosis
To be published
1X8V
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ESTRIOL-BOUND AND LIGAND-FREE STRUCTURES OF STEROL 14ALPHA-DEMETHYLASE (CYP51)
Descriptor:Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE, ESTRIOL
Authors:Podust, L.M., Yermalitskaya, L.V., Lepesheva, G.I., Podust, V.N., Dalmasso, E.A., Waterman, M.R.
Deposit date:2004-08-18
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Estriol Bound and Ligand-free Structures of Sterol 14alpha-Demethylase.
Structure, 12, 2004
2BF4
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A SECOND FMN-BINDING SITE IN YEAST NADPH-CYTOCHROME P450 REDUCTASE SUGGESTS A NOVEL MECHANISM OF ELECTRON TRANSFER BY DIFLAVIN REDUCTASES.
Descriptor:NADPH-CYTOCHROME P450 REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, ...
Authors:Podust, L.M., Lepesheva, G.I., Kim, Y., Yermalitskaya, L.V., Yermalitsky, V.N., Lamb, D.C., Kelly, S.L., Waterman, M.R.
Deposit date:2004-12-03
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
2BN4
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A SECOND FMN-BINDING SITE IN YEAST NADPH-CYTOCHROME P450 REDUCTASE SUGGESTS A NOVEL MECHANISM OF ELECTRON TRANSFER BY DIFLAVIN REDUCTASE
Descriptor:NADPH CYTOCHROME P450 REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, ...
Authors:Podust, L.M., Lepesheva, G.I., Kim, Y., Yermalitskaya, L.V., Yermalitsky, V.N., Lamb, D.C., Kelly, S.L., Waterman, M.R.
Deposit date:2005-03-18
Release date:2006-01-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
2BPO
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CRYSTAL STRUCTURE OF THE YEAST CPR TRIPLE MUTANT: D74G, Y75F, K78A.
Descriptor:NADPH-CYTOCHROM P450 REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, ...
Authors:Yermalitskaya, L.V., Kim, Y., Waterman, M.R., Podust, L.M.
Deposit date:2005-04-21
Release date:2006-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A.
To be Published
2BVJ
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LIGAND-FREE STRUCTURE OF CYTOCHROME P450 PIKC (CYP107L1)
Descriptor:CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, BETA-MERCAPTOETHANOL, ...
Authors:Sherman, D.H., Li, S., Yermalitskaya, L.V., Kim, Y., Smith, J.A., Waterman, M.R., Podust, L.M.
Deposit date:2005-06-28
Release date:2006-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2BZ9
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LIGAND-FREE STRUCTURE OF STEROL 14ALPHA-DEMETHYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN P2(1) SPACE GROUP
Descriptor:STEROL 14ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yermalitskaya, L.V., Waterman, M.R., Podust, L.M.
Deposit date:2005-08-12
Release date:2006-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2C6H
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CRYSTAL STRUCTURE OF YC-17-BOUND CYTOCHROME P450 PIKC (CYP107L1)
Descriptor:CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, ...
Authors:Sherman, D.H., Li, S., Yermalitskaya, L.V., Kim, Y., Smith, J.A., Waterman, M.R., Podust, L.M.
Deposit date:2005-11-09
Release date:2006-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2C7X
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CRYSTAL STRUCTURE OF NARBOMYCIN-BOUND CYTOCHROME P450 PIKC (CYP107L1)
Descriptor:CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, NARBOMYCIN
Authors:Sherman, D.H., Li, S., Yermalitskaya, L.V., Kim, Y., Smith, J.A., Waterman, M.R., Podust, L.M.
Deposit date:2005-11-29
Release date:2006-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CA0
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CRYSTAL STRUCTURE OF YC-17-BOUND CYTOCHROME P450 PIKC (CYP107L1)
Descriptor:CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
Authors:Yermalitskaya, L.I., Kim, Y., Sherman, D.H., Waterman, M.R., Podust, L.M.
Deposit date:2005-12-15
Release date:2006-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
2CD8
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CRYSTAL STRUCTURE OF YC-17-BOUND CYTOCHROME P450 PIKC (CYP107L1)
Descriptor:CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE
Authors:Yermalitskaya, L.I., Kim, Y., Sherman, D.H., Waterman, M.R., Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
2CI0
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HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 INHIBITORS
Descriptor:CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE
Authors:Podust, L.M., Kim, Y., Yermalitskaya, L.V., Von Kries, J.P., Waterman, M.R.
Deposit date:2006-03-16
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2CIB
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HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 INHIBITORS
Descriptor:CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE
Authors:Podust, L.M., Kim, Y., Yermalitskaya, L.V., Von Kries, J.P., Waterman, M.R.
Deposit date:2006-03-17
Release date:2007-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
2D0E
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SUBSTRATE ASSITED IN OXYGEN ACTIVATION IN CYTOCHROME P450 158A2
Descriptor:putative cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 2-HYDROXYNAPHTHOQUINONE
Authors:Zhao, B., Waterman, M.R.
Deposit date:2005-08-02
Release date:2005-10-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2NZ5
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STRUCTURE AND FUNCTION STUDIES OF CYTOCHROME P450 158A1 FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
Authors:Zhao, B., Lamb, D.C., Kelly, S.L., Waterman, M.R.
Deposit date:2006-11-22
Release date:2007-07-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
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